General Information of the Compound
| Compound ID |
CP0483781
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| Compound Name |
4-(2-((R)-2-(octa-1,3-dienyl)-5-oxopyrrolidin-1-yl)ethyl)benzoic acid
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| Structure |
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| Formula |
C21H27NO3
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| Molecular Weight |
341.451
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| Canonical SMILES |
CCCC\C=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C21H27NO3/c1-2-3-4-5-6-7-8-19-13-14-20(23)22(19)16-15-17-9-11-18(12-10-17)21(24)25/h5-12,19H,2-4,13-16H2,1H3,(H,24,25)/b6-5-,8-7+/t19-/m0/s1
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| InChIKey |
PHXOOOCXNKXMBL-WMPMEIDDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00948, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT01534, Prostaglandin E2 receptor EP4 subtype